2-[[2-ethoxyethyl(methyl)amino]methyl]aniline

C12H20N2O — CID 43458606

IUPAC2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
SMILESCCOCCN(C)Cc1ccccc1N
InChIInChI=1S/C12H20N2O/c1-3-15-9-8-14(2)10-11-6-4-5-7-12(11)13/h4-7H,3,8-10,13H2,1-2H3
InChIKeyWOYRBLZZXISXCH-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.74
Rot. Bonds6

About 2-[[2-ethoxyethyl(methyl)amino]methyl]aniline

2-[[2-ethoxyethyl(methyl)amino]methyl]aniline (PubChem CID 43458606) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
PubChem CID43458606
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
SMILESCCOCCN(C)Cc1ccccc1N
InChIInChI=1S/C12H20N2O/c1-3-15-9-8-14(2)10-11-6-4-5-7-12(11)13/h4-7H,3,8-10,13H2,1-2H3
InChIKeyWOYRBLZZXISXCH-UHFFFAOYSA-N
XLogP1.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
3-[[2-ethoxyethyl(methyl)amino]methyl]pyridin-2-amine
CID 81074924
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 81053515
3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
CID 81052658
2-(2-ethoxyethyl)aniline
CID 14619442
4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795
N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
CID 62589527
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
2-[[3-ethylsulfonylpropyl(methyl)amino]methyl]aniline
CID 65093141
2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline
CID 107274493
1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one
CID 143630624

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(methyl)amino]methyl]aniline?
The IUPAC name of 2-[[2-ethoxyethyl(methyl)amino]methyl]aniline (CID 43458606) is 2-[[2-ethoxyethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[2-ethoxyethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 2-[[2-ethoxyethyl(methyl)amino]methyl]aniline is CCOCCN(C)Cc1ccccc1N.
What is the InChIKey of 2-[[2-ethoxyethyl(methyl)amino]methyl]aniline?
The InChIKey is WOYRBLZZXISXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-15-9-8-14(2)10-11-6-4-5-7-12(11)13/h4-7H,3,8-10,13H2,1-2H3.
What are the key properties of 2-[[2-ethoxyethyl(methyl)amino]methyl]aniline?
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline has a molecular weight of 208.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 43458606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).